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Volume 9, issue 1 | Copyright
Geosci. Model Dev., 9, 41-57, 2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.

Model description paper 15 Jan 2016

Model description paper | 15 Jan 2016

PyXRD v0.6.7: a free and open-source program to quantify disordered phyllosilicates using multi-specimen X-ray diffraction profile fitting

M. Dumon and E. Van Ranst
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Cornelis, J.-T., Weis, D., Lavkulich, L., Vermeire, M.-L., Delvaux, B., and Barling, J.: Silicon isotopes record dissolution and re-precipitation of pedogenic clay minerals in a podzolic soil chronosequence, Geoderma, 235–236, 19–29, 2014.
Publications Copernicus
Short summary
This paper presents a FOSS model called PyXRD used to improve the quantification of complex mixed-layer phyllosilicate assemblages using X-ray diffraction. The novelty of this model is the ab initio incorporation of the multi-specimen method, making it possible to share phases and their parameters across multiple specimens. We present results from a comparison of PyXRD with Sybilla v2.2.2 and a number of theoretical experiments illustrating the use of the multi-specimen set-up.
This paper presents a FOSS model called PyXRD used to improve the quantification of complex...